3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylic acid

C22H24FN5O3 — CID 140548592

IUPAC3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylic acid
SMILESCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)C1CCCN(C(=O)O)C1
InChIInChI=1S/C22H24FN5O3/c1-2-19(14-4-3-9-27(13-14)22(30)31)26-21(29)18-10-24-12-20-17(18)11-25-28(20)16-7-5-15(23)6-8-16/h5-8,10-12,14,19H,2-4,9,13H2,1H3,(H,26,29)(H,30,31)
InChIKeyGBFPZGLPAGWUBE-UHFFFAOYSA-N
MW425.46 g/mol
LogP3.46
Rot. Bonds5

About 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylic acid

3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylic acid (PubChem CID 140548592) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylic acid
PubChem CID140548592
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC Name3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylic acid
SMILESCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)C1CCCN(C(=O)O)C1
InChIInChI=1S/C22H24FN5O3/c1-2-19(14-4-3-9-27(13-14)22(30)31)26-21(29)18-10-24-12-20-17(18)11-25-28(20)16-7-5-15(23)6-8-16/h5-8,10-12,14,19H,2-4,9,13H2,1H3,(H,26,29)(H,30,31)
InChIKeyGBFPZGLPAGWUBE-UHFFFAOYSA-N
XLogP3.46
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylic acid?
The IUPAC name of 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylic acid (CID 140548592) is 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylic acid?
The canonical SMILES for 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylic acid is CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)C1CCCN(C(=O)O)C1.
What is the InChIKey of 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylic acid?
The InChIKey is GBFPZGLPAGWUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O3/c1-2-19(14-4-3-9-27(13-14)22(30)31)26-21(29)18-10-24-12-20-17(18)11-25-28(20)16-7-5-15(23)6-8-16/h5-8,10-12,14,19H,2-4,9,13H2,1H3,(H,26,29)(H,30,31).
What are the key properties of 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylic acid?
3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylic acid has a molecular weight of 425.46 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 140548592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).